SAScoreFilter.hh File Reference

A filter which computes the Novartis SA_Score metric. More...

#include <protocols/drug_design/SAScoreFilter.fwd.hh>
#include <core/types.hh>
#include <protocols/filters/Filter.hh>
#include <core/pose/Pose.fwd.hh>
#include <basic/datacache/DataMap.fwd.hh>
#include <protocols/moves/Mover.fwd.hh>
#include <string>
#include <utility/SingletonBase.hh>
#include <boost/cstdint.hpp>
#include <rdkit/GraphMol/ROMol.h>
#include <rdkit/DataStructs/SparseIntVect.h>

Classes
class	protocols::drug_design::SAScoreFilter
class	protocols::drug_design::SAScoreData

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::drug_design

Detailed Description

A filter which computes the Novartis SA_Score metric.

Author

Rocco Moretti (rmore.nosp@m.ttia.nosp@m.se@gm.nosp@m.ail..nosp@m.com)